(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid

C17H20FN3O5 — CID 133269506

IUPAC(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C17H20FN3O5/c1-9(15(23)20-10(2)17(25)26)19-16(24)11-7-14(22)21(8-11)13-5-3-12(18)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t9-,10-,11?/m1/s1
InChIKeyPRDQCKILOSCCSA-DIOIDXFWSA-N
MW365.36 g/mol
LogP0.27
Rot. Bonds6

About (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid (PubChem CID 133269506) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
PubChem CID133269506
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C17H20FN3O5/c1-9(15(23)20-10(2)17(25)26)19-16(24)11-7-14(22)21(8-11)13-5-3-12(18)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t9-,10-,11?/m1/s1
InChIKeyPRDQCKILOSCCSA-DIOIDXFWSA-N
XLogP0.27
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(2S)-2-[[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 7631566
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 108791060
(2S)-2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 120525907
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
(3S)-1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7621365
1-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 102189276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid (CID 133269506) is (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid is C[C@@H](NC(=O)[C@@H](C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid?
The InChIKey is PRDQCKILOSCCSA-DIOIDXFWSA-N. The full InChI is InChI=1S/C17H20FN3O5/c1-9(15(23)20-10(2)17(25)26)19-16(24)11-7-14(22)21(8-11)13-5-3-12(18)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t9-,10-,11?/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid has a molecular weight of 365.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 133269506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).